[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C16H19ClN6O2 — CID 120879017

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120879017) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
• PubChem CID: 120879017
• Molecular Formula: C16H19ClN6O2
• Molecular Weight: 362.82 g/mol
• Exact Mass: 362.13
• IUPAC Name: [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
• SMILES: Cl.Cn1ccnc1C1CNCCN1C(=O)c1cc(-c2ccco2)[nH]n1
• InChI: InChI=1S/C16H18N6O2.ClH/c1-21-6-5-18-15(21)13-10-17-4-7-22(13)16(23)12-9-11(19-20-12)14-3-2-8-24-14;/h2-3,5-6,8-9,13,17H,4,7,10H2,1H3,(H,19,20);1H
• InChIKey: RKYUIMYAGJYZPM-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 91.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.82
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120879017) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cc(-c2ccco2)[nH]n1.

What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

The InChIKey is RKYUIMYAGJYZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2.ClH/c1-21-6-5-18-15(21)13-10-17-4-7-22(13)16(23)12-9-11(19-20-12)14-3-2-8-24-14;/h2-3,5-6,8-9,13,17H,4,7,10H2,1H3,(H,19,20);1H.

What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 362.82 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120879017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).